SCHEMBL1631903

SCHEMBL1631903

C=C(CCOP(=O)(O)O)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 7/20 0.40
LPAR1 Q92633 5/20 0.40
BTN3A1 O00481 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.33
ENPP2 Q13822 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12658401 0.87 LPAR3 (0.51) LPAR3LPAR2LPAR1ENPP2
SCHEMBL5597304 0.83 LPAR3 (0.47) LPAR3LPAR2LPAR1ENPP2
SCHEMBL29048047 0.82 LPAR3 (0.59) LPAR3LPAR2LPAR1TSHRENPP2
SCHEMBL27984755 0.81 BTN3A1 (0.42) LPAR3LPAR2LPAR1BTN3A1ALDH1A1
SCHEMBL14678815 0.81 ALDH1A1 (0.41) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL1831267 0.81 THRB (0.39) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL28558856 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTHRBMAPT
SCHEMBL5595272 0.80 THRB (0.38) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL1831246 0.80 THRB (0.38) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL29273924 0.80 ALDH1A1 (0.40) LPAR3LPAR2LPAR1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11246572-A None JP disclosed
US-8883877-B2 Materials based on radically polymerizable N,O-functionalized acrylic acid hydroxamides IVOCLAR VIVADENT AG (LI) 2014-11-11 US disclosed
US-20110130486-A1 Materials Based on Radically Polymerizable N,O-Functionalized Acrylic Acid Hydroxamides IVOCLAR VIVADENT AG (LI) 2011-06-02 US disclosed
US-7932303-B2 Materials based on radically polymerizable N,O-functionalized acrylic acid hydroxamides IVOCLAR VIVADENT AG (LI) 2011-04-26 US disclosed
US-20080234405-A1 very quickly cured; particularly suitable for dental purposes IVOCLAR VIVADENT AG (LI) 2008-09-25 US disclosed
US-6953832-B2 Dental materials based on polyfunctional amides IVOCLAR VIVADENT AG (LI) 2005-10-11 US disclosed
US-20020143138-A1 For use as dental adhesive, coating material, filling material or dental cement IVOCLAR VIVADENT AG (LI) 2002-10-03 US disclosed
US-6172131-B1 MADE BY REACTING AN ALPHA-HALOMETHACRYLIC ACID ESTER WITH PROTECTED MONO- OR DIFUNCTIONAL PHOSPHONIC ACID ESTERS; USE AS COMPONENT OF DENTAL ADHESIVES DUE TO THEIR ADHESION-PROMOTING PROPERTIES IVOCLAR AG 2001-01-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110130486-A1 Materials Based on Radically Polymerizable N,O-Functionalized Acrylic Acid Hydroxamides H1-0, H1-2, H1-3 LPAR3 2872/4885LPAR2 2729/4885LPAR1 2985/4885
US-20080234405-A1 very quickly cured; particularly suitable for dental purposes HRH4, HRH2, HRH3 LPAR3 2301/4885LPAR2 2831/4885LPAR1 3578/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.